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4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3,3-dioxide,4,4,5

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摘 要:4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3,3-dioxide,4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane 3,3-dioxide, 1,2,2-trimethyl-7,8-dioxa-3λ6-thiabicyclo[3.2.1]octane 3,3-dioxide,Canonical SMILES: CC1(C2(OCC(O2)CS1(=O)=O)C)C,I
[Synonyms]
4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3,3-dioxide
4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane 3,3-dioxide

[Structure]
4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3,3-dioxide,4,4,5

[ Properties Computed from Structure]
Molecular Weight206.25936 [g/mol]
Molecular FormulaC8H14O4S
XLogP0.5
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count0
Exact Mass206.06128
MonoIsotopic Mass206.06128
Topological Polar Surface Area52.6
Heavy Atom Count13
Formal Charge0
Complexity327
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count2
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1,2,2-trimethyl-7,8-dioxa-3λ6-thiabicyclo[3.2.1]octane 3,3-dioxide
Canonical SMILES: CC1(C2(OCC(O2)CS1(=O)=O)C)C
InChI: InChI=1/C8H14O4S/c1-7(2)8(3)11-4-6(12-8)5-13(7,9)10/h6H,4-5H2,1-3H3

 
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